1-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamothioylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamothioylamino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)thiocarbamoylamino]thiourea Formula: C16H17ClN4O2S2 MolecularWeight: 396.91478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C16H17ClN4O2S2/c1-22-13-8-7-12(9-14(13)23-2)19-16(25)21-20-15(24)18-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H2,18,20,24)(H2,19,21,25)